SCHEMBL9796524

SCHEMBL9796524

CN(C=O)c1ccccc1C(=O)COS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ POLB P06746 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9817615 0.81 KMT2A (0.40) KMT2AALDH1A1L3MBTL1TSHRGAA
SCHEMBL9796527 0.77 RAB9A (0.50) KMT2AALDH1A1L3MBTL1GAAMAPT
SCHEMBL9817692 0.77 ALDH1A1 (0.40) KMT2AALDH1A1L3MBTL1TSHRGAA
SCHEMBL9796448 0.76 ALDH1A1 (0.42) KMT2AALDH1A1TSHRGAAMAPT
SCHEMBL2544901 0.73 ERCC5 (0.47) KMT2AALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL9796483 0.72 KMT2A (0.32) KMT2AALDH1A1
SCHEMBL9796279 0.72 SMN1; SMN2 (0.47) KMT2AALDH1A1TSHRGAAMAPT
SCHEMBL5524626 0.72 ALDH1A1 (0.48) ALDH1A1TSHRGAAMAPTTP53
SCHEMBL2543077 0.72 L3MBTL1 (0.56) KMT2AALDH1A1L3MBTL1SMN1; SMN2HTT
SCHEMBL5702466 0.72 LMNA (0.43) KMT2AALDH1A1L3MBTL1MAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997840-A Quinolone sulphonates having antihypertensive activity THE BOOTS COMPANY, PLC (GB) 1991-03-05 — — US disclosed
EP-0330340-A1 Therapeutic agents The Boots Company PLC (GB) 1989-08-30 — — EP disclosed
WO-1989007593-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1989-08-24 — — WO disclosed
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